| 1 |  | /* StaticPropsCmd.h */ | 
| 2 |  |  | 
| 3 | < | /* File autogenerated by gengetopt version 2.16  */ | 
| 3 | > | /* File autogenerated by gengetopt version 2.19.1  */ | 
| 4 |  |  | 
| 5 |  | #ifndef STATICPROPSCMD_H | 
| 6 |  | #define STATICPROPSCMD_H | 
| 24 |  |  | 
| 25 |  | struct gengetopt_args_info | 
| 26 |  | { | 
| 27 | + | const char *help_help; /* Print help and exit help description.  */ | 
| 28 | + | const char *version_help; /* Print version and exit help description.  */ | 
| 29 |  | char * input_arg;     /* input dump file.  */ | 
| 30 |  | char * input_orig;    /* input dump file original value given at command line.  */ | 
| 31 | + | const char *input_help; /* input dump file help description.  */ | 
| 32 |  | char * output_arg;    /* output file name.  */ | 
| 33 |  | char * output_orig;   /* output file name original value given at command line.  */ | 
| 34 | + | const char *output_help; /* output file name help description.  */ | 
| 35 |  | int step_arg; /* process every n frame (default='1').  */ | 
| 36 |  | char * step_orig;     /* process every n frame original value given at command line.  */ | 
| 37 | < | int nrbins_arg;       /* number of bins for distance (default='100').  */ | 
| 38 | < | char * nrbins_orig;   /* number of bins for distance original value given at command line.  */ | 
| 37 | > | const char *step_help; /* process every n frame help description.  */ | 
| 38 | > | int nbins_arg;        /* number of bins (general purpose) (default='100').  */ | 
| 39 | > | char * nbins_orig;    /* number of bins (general purpose) original value given at command line.  */ | 
| 40 | > | const char *nbins_help; /* number of bins (general purpose) help description.  */ | 
| 41 |  | int nbins_x_arg;      /* number of bins in x axis (default='100').  */ | 
| 42 |  | char * nbins_x_orig;  /* number of bins in x axis original value given at command line.  */ | 
| 43 | + | const char *nbins_x_help; /* number of bins in x axis help description.  */ | 
| 44 |  | int nbins_y_arg;      /* number of bins in y axis (default='100').  */ | 
| 45 |  | char * nbins_y_orig;  /* number of bins in y axis original value given at command line.  */ | 
| 46 | + | const char *nbins_y_help; /* number of bins in y axis help description.  */ | 
| 47 |  | int nanglebins_arg;   /* number of bins for cos(angle) (default='50').  */ | 
| 48 |  | char * nanglebins_orig;       /* number of bins for cos(angle) original value given at command line.  */ | 
| 49 | + | const char *nanglebins_help; /* number of bins for cos(angle) help description.  */ | 
| 50 |  | double length_arg;    /* maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 51 |  | char * length_orig;   /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line.  */ | 
| 52 | < | int LegendreL_arg;    /* Order of Legendre Polynomial (used for Bond Order calculations).  */ | 
| 44 | < | char * LegendreL_orig;        /* Order of Legendre Polynomial (used for Bond Order calculations) original value given at command line.  */ | 
| 52 | > | const char *length_help; /* maximum length (Defaults to 1/2 smallest length of first frame) help description.  */ | 
| 53 |  | double rcut_arg;      /* cutoff radius (rcut).  */ | 
| 54 |  | char * rcut_orig;     /* cutoff radius (rcut) original value given at command line.  */ | 
| 55 | + | const char *rcut_help; /* cutoff radius (rcut) help description.  */ | 
| 56 |  | double zoffset_arg;   /* Where to set the zero for the slab_density calculation (default='0').  */ | 
| 57 |  | char * zoffset_orig;  /* Where to set the zero for the slab_density calculation original value given at command line.  */ | 
| 58 | + | const char *zoffset_help; /* Where to set the zero for the slab_density calculation help description.  */ | 
| 59 |  | char * sele1_arg;     /* select the first stuntdouble set.  */ | 
| 60 |  | char * sele1_orig;    /* select the first stuntdouble set original value given at command line.  */ | 
| 61 | + | const char *sele1_help; /* select the first stuntdouble set help description.  */ | 
| 62 |  | char * sele2_arg;     /* select the second stuntdouble set.  */ | 
| 63 |  | char * sele2_orig;    /* select the second stuntdouble set original value given at command line.  */ | 
| 64 | + | const char *sele2_help; /* select the second stuntdouble set help description.  */ | 
| 65 |  | char * sele3_arg;     /* select the third stuntdouble set.  */ | 
| 66 |  | char * sele3_orig;    /* select the third stuntdouble set original value given at command line.  */ | 
| 67 | + | const char *sele3_help; /* select the third stuntdouble set help description.  */ | 
| 68 |  | char * refsele_arg;   /* select reference (use and only use with --gxyz).  */ | 
| 69 |  | char * refsele_orig;  /* select reference (use and only use with --gxyz) original value given at command line.  */ | 
| 70 | + | const char *refsele_help; /* select reference (use and only use with --gxyz) help description.  */ | 
| 71 |  | char * molname_arg;   /* molecule name.  */ | 
| 72 |  | char * molname_orig;  /* molecule name original value given at command line.  */ | 
| 73 | + | const char *molname_help; /* molecule name help description.  */ | 
| 74 |  | int begin_arg;        /* begin internal index.  */ | 
| 75 |  | char * begin_orig;    /* begin internal index original value given at command line.  */ | 
| 76 | + | const char *begin_help; /* begin internal index help description.  */ | 
| 77 |  | int end_arg;  /* end internal index.  */ | 
| 78 |  | char * end_orig;      /* end internal index original value given at command line.  */ | 
| 79 | + | const char *end_help; /* end internal index help description.  */ | 
| 80 | + | double radius_arg;    /* nanoparticle radius.  */ | 
| 81 | + | char * radius_orig;   /* nanoparticle radius original value given at command line.  */ | 
| 82 | + | const char *radius_help; /* nanoparticle radius help description.  */ | 
| 83 | + | const char *bo_help; /* bond order parameter (--rcut must be specified) help description.  */ | 
| 84 | + | const char *bor_help; /* bond order parameter as a function of radius (--rcut must be specified) help description.  */ | 
| 85 | + | const char *bad_help; /* N(theta) bond angle density within (--rcut must be specified) help description.  */ | 
| 86 | + | const char *gofr_help; /* g(r) help description.  */ | 
| 87 | + | const char *gofz_help; /* g(z) help description.  */ | 
| 88 | + | const char *r_theta_help; /* g(r, cos(theta)) help description.  */ | 
| 89 | + | const char *r_omega_help; /* g(r, cos(omega)) help description.  */ | 
| 90 | + | const char *theta_omega_help; /* g(cos(theta), cos(omega)) help description.  */ | 
| 91 | + | const char *gxyz_help; /* g(x, y, z) help description.  */ | 
| 92 | + | const char *p2_help; /* p2 order parameter (--sele1 and --sele2 must be specified) help description.  */ | 
| 93 | + | const char *rp2_help; /* rp2 order parameter (--sele1 and --sele2 must be specified) help description.  */ | 
| 94 | + | const char *scd_help; /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description.  */ | 
| 95 | + | const char *density_help; /* density plot help description.  */ | 
| 96 | + | const char *slab_density_help; /* slab density help description.  */ | 
| 97 | + | const char *hxy_help; /* hxy help description.  */ | 
| 98 | + | const char *rho_r_help; /* rho of R help description.  */ | 
| 99 | + | const char *hullvol_help; /* hull volume of nanoparticle help description.  */ | 
| 100 |  |  | 
| 101 |  | int help_given ;      /* Whether help was given.  */ | 
| 102 |  | int version_given ;   /* Whether version was given.  */ | 
| 103 |  | int input_given ;     /* Whether input was given.  */ | 
| 104 |  | int output_given ;    /* Whether output was given.  */ | 
| 105 |  | int step_given ;      /* Whether step was given.  */ | 
| 106 | < | int nrbins_given ;    /* Whether nrbins was given.  */ | 
| 106 | > | int nbins_given ;     /* Whether nbins was given.  */ | 
| 107 |  | int nbins_x_given ;   /* Whether nbins_x was given.  */ | 
| 108 |  | int nbins_y_given ;   /* Whether nbins_y was given.  */ | 
| 109 |  | int nanglebins_given ;        /* Whether nanglebins was given.  */ | 
| 110 |  | int length_given ;    /* Whether length was given.  */ | 
| 74 | – | int LegendreL_given ; /* Whether LegendreL was given.  */ | 
| 111 |  | int rcut_given ;      /* Whether rcut was given.  */ | 
| 112 |  | int zoffset_given ;   /* Whether zoffset was given.  */ | 
| 113 |  | int sele1_given ;     /* Whether sele1 was given.  */ | 
| 117 |  | int molname_given ;   /* Whether molname was given.  */ | 
| 118 |  | int begin_given ;     /* Whether begin was given.  */ | 
| 119 |  | int end_given ;       /* Whether end was given.  */ | 
| 120 | + | int radius_given ;    /* Whether radius was given.  */ | 
| 121 |  | int bo_given ;        /* Whether bo was given.  */ | 
| 122 | + | int bor_given ;       /* Whether bor was given.  */ | 
| 123 | + | int bad_given ;       /* Whether bad was given.  */ | 
| 124 |  | int gofr_given ;      /* Whether gofr was given.  */ | 
| 125 | + | int gofz_given ;      /* Whether gofz was given.  */ | 
| 126 |  | int r_theta_given ;   /* Whether r_theta was given.  */ | 
| 127 |  | int r_omega_given ;   /* Whether r_omega was given.  */ | 
| 128 |  | int theta_omega_given ;       /* Whether theta_omega was given.  */ | 
| 133 |  | int density_given ;   /* Whether density was given.  */ | 
| 134 |  | int slab_density_given ;      /* Whether slab_density was given.  */ | 
| 135 |  | int hxy_given ;       /* Whether hxy was given.  */ | 
| 136 | + | int rho_r_given ;     /* Whether rho_r was given.  */ | 
| 137 | + | int hullvol_given ;   /* Whether hullvol was given.  */ | 
| 138 |  |  | 
| 139 | + | char **inputs ; /* unamed options */ | 
| 140 | + | unsigned inputs_num ; /* unamed options number */ | 
| 141 |  | int staticProps_group_counter; /* counter for group staticProps */ | 
| 142 |  | } ; | 
| 143 |  |  | 
| 144 | < | int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); | 
| 145 | < | int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); | 
| 146 | < | int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info); | 
| 144 | > | extern const char *gengetopt_args_info_purpose; | 
| 145 | > | extern const char *gengetopt_args_info_usage; | 
| 146 | > | extern const char *gengetopt_args_info_help[]; | 
| 147 |  |  | 
| 148 | + | int cmdline_parser (int argc, char * const *argv, | 
| 149 | + | struct gengetopt_args_info *args_info); | 
| 150 | + | int cmdline_parser2 (int argc, char * const *argv, | 
| 151 | + | struct gengetopt_args_info *args_info, | 
| 152 | + | int override, int initialize, int check_required); | 
| 153 | + | int cmdline_parser_file_save(const char *filename, | 
| 154 | + | struct gengetopt_args_info *args_info); | 
| 155 | + |  | 
| 156 |  | void cmdline_parser_print_help(void); | 
| 157 |  | void cmdline_parser_print_version(void); | 
| 158 |  |  | 
| 159 |  | void cmdline_parser_init (struct gengetopt_args_info *args_info); | 
| 160 |  | void cmdline_parser_free (struct gengetopt_args_info *args_info); | 
| 161 |  |  | 
| 162 | < | int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name); | 
| 162 | > | int cmdline_parser_required (struct gengetopt_args_info *args_info, | 
| 163 | > | const char *prog_name); | 
| 164 |  |  | 
| 165 |  |  | 
| 166 |  | #ifdef __cplusplus |